
Function reference
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Sa
- HPLC-DAD data of goldenrod root extracts.
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Sa_pr
- HPLC-DAD data of goldenrod root extracts.
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Sa_warp
- HPLC-DAD data of goldenrod root extracts.
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attach_metadata()
- Attach experimental metadata
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attach_ref_spectra()
- Attach reference spectra
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boxplot(<peak_table>)
- Make boxplot from peak table.
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chromatographR-package
chromatographR
- chromatographR
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cluster_spectra()
- Cluster peaks by spectral similarity.
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combine_peaks()
- Combine peaks in peak table
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correct_peaks()
- Correct peak positions according to a ptw warping model
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correct_rt()
- Correct retention time
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filter_peaks()
- Filter peak lists
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filter_peaktable()
- Filter peak table
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find_noise()
- Define noise spectra based on specified threshold
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find_peaks()
- Find peaks in chromatographic profile
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fit_peaks()
- Fit chromatographic peaks to an exponential-gaussian hybrid or gaussian profile
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get_agilent_threshold()
- Calculate purity thresholds
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get_noise_variance()
- Calculate variance of noise regions
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get_peaks()
- Get peak list.
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get_peaktable()
- Convert peak list into an ordered peak table.
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get_purity()
- Calculate mean peak purity
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get_purity_values()
- Calculate peak purity values
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get_spectral_similarity()
- Calculate spectral similarity
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load_chroms()
- Import chromatograms.
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merge_peaks()
- Merge split peaks in peak table
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mirror_plot()
- Make mirror plot from peak table.
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normalize_data()
- Normalize peak table or chromatograms
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pk_tab
- Goldenrod peak table
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plot(<peak_list>)
- Plot fitted peak shapes.
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plot(<peak_table>)
- Plot spectrum from peak table
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plot(<ptw_list>)
- Plot PTW alignments
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plot_all_spectra()
- Plot all spectra for chosen peak.
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plot_chroms()
- Plot traces from list of chromatograms.
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plot_spectrum()
- Plot spectrum from peak table
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preprocess()
- Preprocess time/wavelength data
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reshape_chroms()
- Reshapes list of chromatograms from wide to long format
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reshape_peaktable()
- Reshapes peak table from wide to long format
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scan_chrom()
- Plot spectra by clicking on the chromatogram
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trim_peak()
- Trim peak
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write_peaktable()
- Export peak table